N-[2-[7-cyano-3-(phenylmethyl)-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]ethyl]-N-phenylmethoxy-methanesulfonamide

Systemtic Name: N-[2-[7-cyano-3-(phenylmethyl)-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]ethyl]-N-phenylmethoxy-methanesulfonamide Openeye Name: N-[2-(3-benzyl-7-cyano-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethyl]-N-benzyloxy-methanesulfonamide CAS Name: N-[2-[7-cyano-3-(phenylmethyl)-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl]ethyl]-N-phenylmethoxymethanesulfonamide IUPAC Name: N-[2-(3-benzyl-7-cyano-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethyl]-N-phenylmethoxymethanesulfonamide Traditional Name: N-benzoxy-N-[2-(3-benzyl-7-cyano-4-propylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethyl]methanesulfonamide Formula: C30H36N4O5S2 MolecularWeight: 596.76064

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CC=CC=C3)CCN(OCC4=CC=CC=C4)S(=O)(=O)C

Isomeric SMILES

CCCS(=O)(=O)N1CC2=C(C=CC(=C2)C#N)N(CC1CC3=CC=CC=C3)CCN(OCC4=CC=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C30H36N4O5S2/c1-3-18-41(37,38)33-22-28-19-27(21-31)14-15-30(28)32(23-29(33)20-25-10-6-4-7-11-25)16-17-34(40(2,35)36)39-24-26-12-8-5-9-13-26/h4-15,19,29H,3,16-18,20,22-24H2,1-2H3